4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine

C10H22N2O — CID 66238333

IUPAC4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine
SMILESCC(C)(C)CNCC1COCC1N
InChIInChI=1S/C10H22N2O/c1-10(2,3)7-12-4-8-5-13-6-9(8)11/h8-9,12H,4-7,11H2,1-3H3
InChIKeyALXWNITYHHSUTC-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.60
Rot. Bonds3

About 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine

4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine (PubChem CID 66238333) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine
PubChem CID66238333
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine
SMILESCC(C)(C)CNCC1COCC1N
InChIInChI=1S/C10H22N2O/c1-10(2,3)7-12-4-8-5-13-6-9(8)11/h8-9,12H,4-7,11H2,1-3H3
InChIKeyALXWNITYHHSUTC-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine (CID 66238333) is 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine is CC(C)(C)CNCC1COCC1N.
What is the InChIKey of 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine?
The InChIKey is ALXWNITYHHSUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)7-12-4-8-5-13-6-9(8)11/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine?
4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66238333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).